[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C24H21N3O2S — CID 134046698

About [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 134046698) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
• PubChem CID: 134046698
• Molecular Formula: C24H21N3O2S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.14
• IUPAC Name: [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
• SMILES: Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCCC4c4cccs4)cc3)o2)c1
• InChI: InChI=1S/C24H21N3O2S/c1-16-5-2-6-19(15-16)23-26-25-22(29-23)17-9-11-18(12-10-17)24(28)27-13-3-7-20(27)21-8-4-14-30-21/h2,4-6,8-12,14-15,20H,3,7,13H2,1H3
• InChIKey: LVJIYSAKWNPJAK-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?

The IUPAC name of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 134046698) is [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

What is the SMILES notation for [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?

The canonical SMILES for [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCCC4c4cccs4)cc3)o2)c1.

What is the InChIKey of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?

The InChIKey is LVJIYSAKWNPJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-5-2-6-19(15-16)23-26-25-22(29-23)17-9-11-18(12-10-17)24(28)27-13-3-7-20(27)21-8-4-14-30-21/h2,4-6,8-12,14-15,20H,3,7,13H2,1H3.

What are the key properties of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?

[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 415.52 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 134046698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).